Calcium in PDB 1gtj: Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho

The structure of Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho, PDB code: 1gtj was solved by M.Comellas-Bigler, P.Fuentes-Prior, K.Maskos, R.Huber, H.Oyama, K.Uchida, B.M.Dunn, K.Oda, W.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.87 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.760, 78.170, 72.990, 90.00, 98.11, 90.00
R / Rfree (%)	19.4 / 23.2

The binding sites of Calcium atom in the Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho (pdb code 1gtj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho, PDB code: 1gtj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca1359 b:12.9 occ:1.00 O 1:GLY334 2.3 10.7 1.0 OD1 1:ASP316 2.4 12.2 1.0 O 1:GLY336 2.4 12.2 1.0 O 1:ILE317 2.4 10.1 1.0 OD2 1:ASP338 2.4 9.8 1.0 O 1:HOH2194 2.5 13.1 1.0 CG 1:ASP316 3.5 15.3 1.0 C 1:ILE317 3.5 11.2 1.0 C 1:GLY336 3.6 12.2 1.0 C 1:GLY334 3.6 13.2 1.0 CG 1:ASP338 3.6 11.7 1.0 N 1:GLY336 3.8 12.3 1.0 N 1:ILE317 3.9 13.4 1.0 OD2 1:ASP316 4.0 14.2 1.0 N 1:GLY334 4.0 12.7 1.0 C 1:PRO335 4.1 12.8 1.0 OG1 1:THR341 4.1 8.6 1.0 O 1:GLY342 4.3 11.9 1.0 CA 1:GLY336 4.3 11.9 1.0 CB 1:ASP338 4.3 10.9 1.0 CA 1:PRO335 4.4 13.4 1.0 CA 1:ILE317 4.4 12.2 1.0 OD1 1:ASP338 4.4 9.8 1.0 N 1:PRO335 4.5 13.9 1.0 N 1:THR318 4.5 10.9 1.0 CA 1:GLY334 4.5 12.9 1.0 N 1:ASP338 4.5 10.8 1.0 CA 1:THR318 4.5 12.1 1.0 C 1:TRP337 4.5 10.5 1.0 C 1:ASP316 4.6 14.7 1.0 N 1:TRP337 4.6 10.4 1.0 CG2 1:THR318 4.6 14.4 1.0 O 1:PRO335 4.7 11.9 1.0 CB 1:ASP316 4.7 12.5 1.0 CA 1:TRP337 4.7 10.8 1.0 CA 1:ASP316 4.7 14.0 1.0 O 1:TRP337 4.9 12.0 1.0 CB 1:ILE317 4.9 12.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Thermostable Serine-Carboxyl Type Proteinase, Kumamolisin (Kscp) - Complex with Ac-Ile-Ala-Phe-Cho within 5.0Å range: probe atom residue distance (Å) B Occ 2:Ca1359 b:13.5 occ:1.00 O 2:GLY334 2.3 14.9 1.0 O 2:GLY336 2.3 13.1 1.0 OD2 2:ASP338 2.4 10.1 1.0 OD1 2:ASP316 2.4 17.3 1.0 O 2:ILE317 2.5 12.8 1.0 O 2:HOH2167 2.5 11.5 1.0 C 2:GLY336 3.5 13.8 1.0 C 2:GLY334 3.5 15.2 1.0 CG 2:ASP338 3.6 13.5 1.0 CG 2:ASP316 3.6 18.5 1.0 C 2:ILE317 3.6 14.8 1.0 N 2:GLY336 3.9 13.4 1.0 N 2:ILE317 4.0 14.9 1.0 N 2:GLY334 4.0 14.3 1.0 OD2 2:ASP316 4.1 17.1 1.0 C 2:PRO335 4.1 15.0 1.0 OG1 2:THR341 4.2 11.2 1.0 O 2:GLY342 4.3 12.5 1.0 CA 2:GLY336 4.3 13.0 1.0 CB 2:ASP338 4.3 11.8 1.0 CA 2:GLY334 4.4 15.6 1.0 OD1 2:ASP338 4.4 12.1 1.0 CA 2:ILE317 4.4 14.8 1.0 CA 2:PRO335 4.4 15.5 1.0 N 2:ASP338 4.4 13.3 1.0 N 2:PRO335 4.5 16.8 1.0 C 2:TRP337 4.5 12.0 1.0 N 2:THR318 4.5 14.4 1.0 N 2:TRP337 4.5 12.8 1.0 CA 2:THR318 4.6 15.5 1.0 CG2 2:THR318 4.6 15.8 1.0 O 2:PRO335 4.6 14.1 1.0 C 2:ASP316 4.6 17.2 1.0 CA 2:TRP337 4.7 13.0 1.0 CB 2:ASP316 4.8 17.3 1.0 CA 2:ASP316 4.8 16.3 1.0 O 2:TRP337 4.9 13.4 1.0 CB 2:ILE317 5.0 14.5 1.0

M.Comellas-Bigler, P.Fuentes-Prior, K.Maskos, R.Huber, H.Oyama, K.Uchida, B.M.Dunn, K.Oda, W.Bode. The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase Structure V. 10 865 2002.
ISSN: ISSN 0969-2126
PubMed: 12057200
DOI: 10.1016/S0969-2126(02)00772-4